Information card for entry 4134804

Structure parameters

• Formula: C68 H56 O8
• Calculated formula: C68 H56 O8
• Title of publication: Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.
• Authors of publication: Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.23 ± 0.0002 Å
• b: 22.991 ± 0.0006 Å
• c: 11.992 ± 0.0003 Å
• α: 90°
• β: 97.123 ± 0.002°
• γ: 90°
• Cell volume: 3072.31 ± 0.12 ų
• Cell temperature: 170.01 ± 0.12 K
• Ambient diffraction temperature: 170.01 ± 0.12 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No